F390-0206 Screening compound: 4-[4-(benzyloxy)phenyl]-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0206 Screening compound: 4-[4-(benzyloxy)phenyl]-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0206 Screening compound: 4-[4-(benzyloxy)phenyl]-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0206
4-[4-(benzyloxy)phenyl]-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F390-0206

Molecular Formula

C30H25NO4S (C30 H25 NO4 S)

Compound Name

4-[4-(benzyloxy)phenyl]-2-(2,4-dimethylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

4-[4-(benzyloxy)phenyl]-2-(24-dimethylbenzoyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

Cc(cc1)cc(C)c1C(C1=CN(c(cc2)ccc2OCc2ccccc2)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C30H25NO4S/c1-21-12-17-26(22(2)18-21)30(32)29-19-31(27-10-6-7-11-28(27)36(29,33)34)24-13-15-25(16-14-24)35-20-23-8-4-3-5-9-23/h3-19H,20H2,1-2H3

InChI Key

KFJBZDITSLLEON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.763

Distribution Coefficient, logD

5.763

Water Solubility, LogSw

-5.51

Polar Surface Area

51.645

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F390-0206 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F390-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0206?
Check Price and Availability of F390-0206, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F390-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0206
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F390-0206 available by request